Molecular Properties | |
SMILES: | CCNC(COc1cccc(CN2CCN(C(=O)CCl)CC2)c1)OCC#N |
MW: | 394.903 |
Fraction sp3: | 0.58 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 77.83 |
cLogP: | 1.42418 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_acetal
het-C-het not in ring
Long aliphatic chain
MAK-UNK-849bee6c-12
0.505
MAK-UNK-af83ef51-19
0.481
AAR-POS-d2a4d1df-24
0.469
MAK-UNK-849bee6c-13
0.465
MAT-POS-ee51dedd-1
0.459
MAK-UNK-849bee6c-14
0.453
MAK-UNK-10dfa458-45
0.446
MAK-UNK-849bee6c-4
0.443
JOH-UNI-0e1753c1-3
0.439
MED-COV-4280ac29-15
0.439
AAR-POS-d2a4d1df-35
0.439
HYO-UNK-49a60884-1
0.439
MAK-UNK-3c359d2a-1
0.434
MAK-UNK-176ca439-4
0.434
JOK-SYG-18591e8f-1
0.430
DRR-IMP-38dce17f-2
0.429
MAK-UNK-849bee6c-7
0.426
MAK-UNK-176ca439-2
0.424
MAK-UNK-849bee6c-9
0.421
MAK-UNK-af83ef51-21
0.421
MAK-UNK-849bee6c-16
0.414
MAK-UNK-849bee6c-6
0.410
MAK-UNK-849bee6c-3
0.408
MAK-UNK-cd94b63c-1
0.406
MAK-UNK-176ca439-3
0.406
MAK-UNK-849bee6c-15
0.404
MAK-UNK-849bee6c-5
0.396
MAK-UNK-849bee6c-17
0.394
SAD-SAT-5b1897b2-5
0.393
TAM-UNI-d1c3dd9f-12
0.388
MED-COV-4280ac29-24
0.385
MAK-UNK-849bee6c-8
0.385
MAK-UNK-7c9d1431-24
0.383
DRR-IMP-38dce17f-3
0.383
DRR-IMP-38dce17f-7
0.376
MAK-UNK-6ca90168-14
0.376
DRR-IMP-38dce17f-4
0.372
DAR-DIA-fb20be43-3
0.371
MAK-UNK-e4a48a85-27
0.370
BRU-LEF-ae0885ba-1
0.365
PAU-UNI-52c0427f-1
0.365
DAR-DIA-fb20be43-4
0.365
MAK-UNK-7c9d1431-14
0.363
MAK-UNK-7c9d1431-16
0.363
MAR-TRE-6a44bbf2-54
0.363
MAK-UNK-af83ef51-22
0.361
DAR-DIA-fb20be43-5
0.357
MAK-UNK-849bee6c-2
0.355
TAM-UNI-d1c3dd9f-16
0.354
DAR-DIA-fb20be43-6
0.354
MAK-UNK-e4a48a85-7
0.352
SAD-SAT-581007d4-2
0.352
MAK-UNK-10dfa458-43
0.352
MAK-UNK-849bee6c-1
0.352
DAV-CRI-d1e0885a-4
0.351
DAV-CRI-d1e0885a-2
0.350
TAM-UNI-d1c3dd9f-6
0.350
LON-WEI-8f408cad-7
0.349
MAK-UNK-212f693e-8
0.349
AAR-POS-0daf6b7e-13
0.349
MED-COV-4280ac29-1
0.348
TAM-UNI-d1c3dd9f-18
0.347
SEL-UNI-cd366922-8
0.346
MAK-UNK-849bee6c-18
0.346
MAK-UNK-849bee6c-21
0.345
MAK-UNK-7c9d1431-29
0.345
MAK-UNK-e4a48a85-8
0.345
DAR-DIA-fb20be43-7
0.343
MAK-UNK-849bee6c-19
0.343
MAK-UNK-10dfa458-44
0.342
MAK-UNK-849bee6c-22
0.342
PAU-UNI-8cdd41c7-1
0.341
DRR-IMP-38dce17f-6
0.341
AHN-SAT-de2502ba-15
0.341
SEL-UNI-cd366922-6
0.340
MAK-UNK-af83ef51-27
0.339
MAK-UNK-af83ef51-16
0.339
SEL-UNI-cd366922-7
0.337
MAK-UNK-849bee6c-24
0.336
MAK-UNK-7c9d1431-18
0.333
PAT-UNK-b2d83456-1
0.333
DAR-DIA-fb20be43-1
0.333
DAV-CRI-d1e0885a-1
0.333
MAK-UNK-af83ef51-14
0.333
DRR-IMP-38dce17f-1
0.333
TAM-UNI-d1c3dd9f-17
0.333
MAK-UNK-e4a48a85-19
0.333
JOH-UNI-27ac80fd-39
0.333
JOH-UNI-0e1753c1-1
0.333
MED-COV-4280ac29-19
0.333
MAK-UNK-849bee6c-20
0.333
MAK-UNK-849bee6c-23
0.333
MAK-UNK-c74072e5-7
0.331
MAK-UNK-e4a48a85-18
0.330
STE-KUL-2e0d2e88-7
0.330
MED-COV-4280ac29-33
0.330
DRR-IMP-38dce17f-5
0.330
MAK-UNK-69e28b36-1
0.328
MAK-UNK-176ca439-6
0.328
TAM-UNI-d1c3dd9f-19
0.327